(2S)-N-[(2S)-6-azanyl-1-[[(2S,3R)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-6-azanyl-1-[[(2S,3R)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-5-amino-1-[[(1S,2R)-1-[[2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]-1-[(2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-6-amino-1-[[(2S,3R)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]-1-[(2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-6-amino-1-[[(2S,3R)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]-1-[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylpentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-5-amino-1-[[(1S,2R)-1-[[2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]-1-[(2S)-4-methyl-2-(naphthionylamino)pentanoyl]pyrrolidine-2-carboxamide Formula: C60H91N19O12S MolecularWeight: 1302.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NCC(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)NS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)O

InChI

InChI=1S/C60H91N19O12S/c1-34(2)29-45(77-92(90,91)48-24-11-16-38-39(48)17-10-22-46(38)78(4)5)58(89)79-28-14-23-47(79)56(87)75-42(19-8-9-25-61)54(85)76-51(35(3)80)57(88)71-32-49(81)70-33-50(82)72-44(30-36-31-69-40-18-7-6-15-37(36)40)55(86)74-43(21-13-27-68-60(65)66)53(84)73-41(52(62)83)20-12-26-67-59(63)64/h6-7,10-11,15-18,22,24,31,34-35,41-45,47,51,69,77,80H,8-9,12-14,19-21,23,25-30,32-33,61H2,1-5H3,(H2,62,83)(H,70,81)(H,71,88)(H,72,82)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H4,63,64,67)(H4,65,66,68)/t35-,41+,42+,43+,44+,45+,47+,51+/m1/s1